Homocoralyne sulfopropionate
Basic information
- CAS
51865-95-3- Standard SMILES
CCC(=O)OS(=O)(=O)[O-].CCc1c2cc(OC)c(OC)cc2cc2c3cc(OC)c(OC)cc3cc[n+]12- InChIKey
FGWHDZFFHOGBBJ-UHFFFAOYSA-M- Molecular formula
- C26H29NO9S
- Average molar mass
- 531.6 g/mol
- Monoisotopic mass
- 531.15630268
Names & identifiers
- Preferred name
- Homocoralyne sulfopropionate
- IUPAC
- 8-ethyl-2,3,10,11-tetramethoxyisoquinolino[2,1-b]isoquinolin-7-ium;propanoyl sulfate
Names & synonyms
Homocoralyne sulfopropionateNSC 15662551865-95-3Dibenzo(a,g)quinolizinium, 8-ethyl-2,3,10,11-tetramethoxy-, saltDibenzo(a,g)quinolizinium, 8-ethyl-2,3,10,11-tetramethoxy-, sulfate (1:1), anhydride with propanoic acidCORALYNE, NOR, 8-ETHYLDTXSID601998288-ethyl-2,3,10,11-tetramethoxy-isoquinolino[2,1-b]isoquinolin-7-ium; sulfo propanoate{Dibenzo[a,g]quinolizinium,} 8-ethyl-2,3,10,11-tetramethoxy-, salt with 2-sulfopropanoic acid (1:1) (MF1)2-Sulfopropanoic acid compound with 8-ethyl-2,3,10,11-tetramethoxy-7lambda~5~-isoquino[3,2-a]isoquinoline (1:1)Dibenzo[a,g]quinolizinium, 8-ethyl-2,3,10,11-tetramethoxy-, salt with 2-sulfopropanoic acid (1:1) (MF1)
Database identifiers
- CAS
51865-95-3- PubChem CID
- 40154
- DTXSID
DTXSID60199828
Properties
Computed structural properties
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 688
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Compound notes
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